| SpectraBase Compound ID | CM6nbpAakwN |
|---|---|
| InChI | InChI=1S/C28H36O16/c1-11(30)44-28(2)8-16(41-24(35)12-6-14(37-3)20(31)15(7-12)38-4)18-13(25(36)39-5)10-40-26(19(18)28)43-27-23(34)22(33)21(32)17(9-29)42-27/h6-7,10,16-19,21-23,26-27,29,31-34H,8-9H2,1-5H3/t16-,17+,18+,19-,21+,22-,23+,26+,27-,28+/m1/s1 |
| InChIKey | UYVOQGVJJDNTHV-KSXFBKOESA-N |
| Mol Weight | 628.6 g/mol |
| Molecular Formula | C28H36O16 |
| Exact Mass | 628.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DUvAotdgVf1 |
|---|---|
| Name | 6-O-SYRINGYL-8-ACETYL-SHANZHISIDE_METHYLESTER |
| Compound Number | 251 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O16 |
| InChI | InChI=1S/C28H36O16/c1-11(30)44-28(2)8-16(41-24(35)12-6-14(37-3)20(31)15(7-12)38-4)18-13(25(36)39-5)10-40-26(19(18)28)43-27-23(34)22(33)21(32)17(9-29)42-27/h6-7,10,16-19,21-23,26-27,29,31-34H,8-9H2,1-5H3/t16-,17+,18+,19-,21+,22-,23+,26+,27-,28+/m1/s1 |
| InChIKey | UYVOQGVJJDNTHV-KSXFBKOESA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 628.584 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ16221 |